⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8015367 | 0.60 | PRMT6 (0.50) | — | |
| SCHEMBL1304013 | 0.60 | — | — | |
| SCHEMBL8008762 | 0.59 | CYP2A6 (0.43) | — | |
| SCHEMBL4729082 | 0.59 | — | — | |
| SCHEMBL378106 | 0.59 | — | — | |
| SCHEMBL621621 | 0.59 | CYP2A6 (0.43) | — | |
| SCHEMBL16742912 | 0.59 | — | — | |
| SCHEMBL7277336 | 0.59 | CYP2A6 (0.43) | — | |
| SCHEMBL21127888 | 0.59 | CYP2A6 (0.43) | — | |
| SCHEMBL8015366 | 0.59 | CYP2A6 (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0049173-B1 | PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL DERIVATIVES CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-07-03 | — | — | EP | claimed |
| US-4385058-A | HISTAMINE H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-05-24 | — | — | US | claimed |
| EP-0049173-A2 | Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-04-07 | — | — | EP | claimed |
| EP-3071578-B1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2018-01-10 | — | — | EP | disclosed |
| US-9765092-B2 | Tricyclic piperidine compounds | ACTELION PHARMACEUTICALS LTD (CH) | 2017-09-19 | — | — | US | disclosed |
| EP-3071578-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | Actelion Pharmaceuticals Ltd (CH) | 2016-09-28 | — | — | EP | disclosed |
| US-20160272655-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-09-22 | — | — | US | disclosed |
| EP-1925611-B1 | OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | DAIICHI SANKYO CO LTD (JP) | 2016-04-13 | — | — | EP | disclosed |
| WO-2015075023-A1 | TRICYCLIC PIPERIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-05-28 | — | — | WO | disclosed |
| US-8088796-B2 | Triamine derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-01-03 | — | — | US | disclosed |
| US-20110312990-A1 | Diamine Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-12-22 | — | — | US | disclosed |
| WO-1995034553-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1995-12-21 | — | — | WO | disclosed |
| EP-0683776-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1995-11-29 | — | — | EP | disclosed |
| US-4607107-A | CHEMICAL INTERMEDIATES FOR HESTAMINE H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LTD. (GB) | 1986-08-19 | — | — | US | disclosed |
| EP-0049173-B1 | PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL DERIVATIVES CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-07-03 | — | — | EP | disclosed |
| EP-0039989-B1 | PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-08-29 | — | — | EP | disclosed |
| US-4439609-A | 4-TERT-AMINOALKYL, 2-AMINOALKOXY OR 2-AMINOALKYLENETHIOALKYL SUBSTITUTED, CHEMICAL INTERMEDIATES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-03-27 | — | — | US | disclosed |
| US-4388317-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-14 | — | — | US | disclosed |
| US-4385058-A | HISTAMINE H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-05-24 | — | — | US | disclosed |
| EP-0039989-A1 | Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-11-18 | — | — | EP | disclosed |